2-(phenylmethylsulfanyl)-1-(3-phenylpropyl)-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one

Systemtic Name: 2-(phenylmethylsulfanyl)-1-(3-phenylpropyl)-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one Openeye Name: 2-benzylsulfanyl-1-(3-phenylpropyl)-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one CAS Name: 2-(phenylmethylthio)-1-(3-phenylpropyl)-5-(5-pyrimidinylmethyl)-4-pyrimidinone IUPAC Name: 2-benzylsulfanyl-1-(3-phenylpropyl)-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one Traditional Name: 2-(benzylthio)-1-(3-phenylpropyl)-5-(5-pyrimidylmethyl)pyrimidin-4-one Formula: C25H24N4OS MolecularWeight: 428.54926

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCN2C=C(C(=O)N=C2SCC3=CC=CC=C3)CC4=CN=CN=C4

Isomeric SMILES

C1=CC=C(C=C1)CCCN2C=C(C(=O)N=C2SCC3=CC=CC=C3)CC4=CN=CN=C4

InChI

InChI=1S/C25H24N4OS/c30-24-23(14-22-15-26-19-27-16-22)17-29(13-7-12-20-8-3-1-4-9-20)25(28-24)31-18-21-10-5-2-6-11-21/h1-6,8-11,15-17,19H,7,12-14,18H2